4-(5-bromanyl-2-methoxy-phenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylate

Systemtic Name: 4-(5-bromanyl-2-methoxy-phenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylate Openeye Name: 4-(5-bromo-2-methoxy-phenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylate CAS Name: 4-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylate IUPAC Name: 4-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylate Formula: C20H12BrClN3O3- MolecularWeight: 457.68458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=CC(=NC3=NNC(=C23)C4=CC=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=CC(=NC3=NNC(=C23)C4=CC=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C20H13BrClN3O3/c1-28-16-7-4-11(21)8-13(16)14-9-15(20(26)27)23-19-17(14)18(24-25-19)10-2-5-12(22)6-3-10/h2-9H,1H3,(H,26,27)(H,23,24,25)/p-1